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Emtricitabine
SpectraBase Compound ID 98DYjmWbygo
InChI InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)
InChIKey XQSPYNMVSIKCOC-UHFFFAOYSA-N
Mol Weight 247.24 g/mol
Molecular Formula C8H10FN3O3S
Exact Mass 247.042691 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID CQX0eQzhoFJ
Name Emtricitabine-M (2-HO-glucuronide) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)
InChIKey XQSPYNMVSIKCOC-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OCC1SCC(N2C=C(C(=NC2=O)N)F)O1
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS